1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone

C17H21FO3 — CID 62029866

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone
SMILESCOc1ccc(C(=O)COCC2CC=CCC2C)cc1F
InChIInChI=1S/C17H21FO3/c1-12-5-3-4-6-14(12)10-21-11-16(19)13-7-8-17(20-2)15(18)9-13/h3-4,7-9,12,14H,5-6,10-11H2,1-2H3
InChIKeyJFAFYPKWCYRRSF-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.64
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone

1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone (PubChem CID 62029866) has the molecular formula C17H21FO3 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone
PubChem CID62029866
Molecular FormulaC17H21FO3
Molecular Weight292.35 g/mol
Exact Mass292.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone
SMILESCOc1ccc(C(=O)COCC2CC=CCC2C)cc1F
InChIInChI=1S/C17H21FO3/c1-12-5-3-4-6-14(12)10-21-11-16(19)13-7-8-17(20-2)15(18)9-13/h3-4,7-9,12,14H,5-6,10-11H2,1-2H3
InChIKeyJFAFYPKWCYRRSF-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone with MolForge

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
CID 62030398
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 8521883
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029822
3-fluoro-4-methoxybenzoate
CID 4251674
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 105097300
1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
CID 43220187
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-iodobenzoate
CID 31981645
2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 60656990
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 8536807

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone (CID 62029866) is 1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone is COc1ccc(C(=O)COCC2CC=CCC2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone?
The InChIKey is JFAFYPKWCYRRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO3/c1-12-5-3-4-6-14(12)10-21-11-16(19)13-7-8-17(20-2)15(18)9-13/h3-4,7-9,12,14H,5-6,10-11H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone?
1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone has a molecular weight of 292.35 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone is sourced from PubChem (CID 62029866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).